4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid

C11H11N3O3 — CID 82513143

IUPAC4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1cnc(C)n1
InChIInChI=1S/C11H11N3O3/c1-7-12-6-14(13-7)9-5-8(11(15)16)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyUTTUQMNHKQMKNC-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.28
Rot. Bonds3

About 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid

4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid (PubChem CID 82513143) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
PubChem CID82513143
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1cnc(C)n1
InChIInChI=1S/C11H11N3O3/c1-7-12-6-14(13-7)9-5-8(11(15)16)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyUTTUQMNHKQMKNC-UHFFFAOYSA-N
XLogP1.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71308083
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3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
CID 82514468
4-methoxy-3-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
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3-borono-4-methoxybenzoic acid
CID 42614541
3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 59577818
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid?
The IUPAC name of 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid (CID 82513143) is 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid is COc1ccc(C(=O)O)cc1-n1cnc(C)n1.
What is the InChIKey of 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid?
The InChIKey is UTTUQMNHKQMKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-12-6-14(13-7)9-5-8(11(15)16)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid?
4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid is sourced from PubChem (CID 82513143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).